Crystallography Open Database

Information card for entry 4114761

Preview

Coordinates	4114761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba O9 Te4
Calculated formula	Ba O9 Te4
Title of publication	Lone-Pair Self-Containment in Tellurite Tubes: Hydrothermal Syntheses and Structures of BaTe3O7 and BaTe4O9
Authors of publication	Magnus G. Johnston; William T. A. Harrison
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	4576 - 4577
a	19.5354 ± 0.001 Å
b	4.5099 ± 0.0002 Å
c	23.3021 ± 0.0012 Å
α	90°
β	112.961 ± 0.001°
γ	90°
Cell volume	1890.32 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178918 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/47.	4114761.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114761.cif
68123	2012-10-17	cif/ Adding structures of 4114761 via cif-deposit CGI script.	4114761.cif